HMDB0304380 RDKit 3D indole-3-acetyl-glutamine 38 39 0 0 0 0 0 0 0 0999 V2000 6.2663 -0.5529 1.1445 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3446 -0.1309 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 0.8185 -0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.8156 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 -0.1570 -1.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9055 -0.8435 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1293 -0.7807 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0572 -0.0577 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4524 0.5569 -0.9688 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 0.0580 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 0.8962 1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 2.1982 1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4846 2.6459 1.1486 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 1.6846 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3865 1.6409 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7625 0.4843 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9301 -0.6171 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6883 -0.5562 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 0.5956 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 -2.2415 -1.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4494 -2.3928 -2.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 -3.3244 -0.8307 O 0 0 0 0 0 1 0 0 0 0 0 0 5.9632 -0.6324 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 -0.7915 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 -1.8990 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 -0.5903 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0837 0.9209 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 -0.3187 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3312 -0.2790 -1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -1.3018 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 -0.9895 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 0.4372 2.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 2.7794 2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9385 3.5856 1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0833 2.4636 -0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7287 0.3973 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2625 -1.5060 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -1.3848 -0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 21 2 0 20 22 1 0 19 11 1 0 19 14 1 0 1 23 1 0 1 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 M CHG 1 22 -1 M END